SCHEMBL6086725

SCHEMBL6086725

CC(=O)Oc1ccc2ccn(Cc3ccc(Cl)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 0.53
▸ HDAC6 Q9UBN7 5/20 0.53
▸ HDAC3 O15379 4/20 0.53
▸ HDAC1 Q13547 4/20 0.53
▸ HDAC2 Q92769 4/20 0.53
▸ HDAC11 Q96DB2 2/20 0.53
▸ HDAC10 Q969S8 2/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC9 Q9UKV0 1/20 0.53
▸ HDAC5 Q9UQL6 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ MCL1 Q07820 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MTNR1A P48039 2/20 0.45
▸ MTNR1B P49286 2/20 0.45
▸ KMO O15229 1/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ MAOA P21397 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8801364 0.88 ALDH1A1 (0.52) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL27657208 0.84 HDAC8 (0.48) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL6085908 0.82 HDAC8 (0.58) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL7548794 0.80 ALDH1A1 (0.60) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL27691737 0.77 MTNR1A (0.48) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL6086834 0.77 KMO (0.55) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL6087416 0.77 HDAC8 (0.62) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL27475781 0.77 HDAC8 (0.47) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL6191766 0.76 KDM4C (0.47) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL28758520 0.76 MTNR1A (0.53) MCL1MTNR1AMTNR1BMAOAMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987122-B2 2-(1H-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2006-01-17 — — US disclosed
EP-1244652-B1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY CELL THERAPEUTICS EUROPE SRL (IT) 2005-08-24 — — EP disclosed
US-6753342-B2 ANTICARCINOGENIC AGENTS FOR LUNG AND COLON CANCER TREATMENT NOVUSPHARMA S.P.A. (IT) 2004-06-22 — — US disclosed
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2004-02-12 — — US disclosed
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung NOVUSPHARMA S.P.A. (IT) 2003-08-21 — — US disclosed
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 — — EP disclosed
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung IDO2, IDO1, TXNRD2 HDAC8 831/4885HDAC6 415/4885HDAC3 194/4885
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity IDO1, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HDAC8 78/4885HDAC6 21/4885HDAC3 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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